SCHEMBL7465369

SCHEMBL7465369

CN1CCc2ccc(N3CCN([C@H]4CC[C@H](NCC(=O)O)CC4)C3=O)cc2CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.38
F2 P00734 5/20 0.38
KHK P50053 6/20 0.38
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
CYP17A1 P05093 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PRSS1 P07477 3/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7465375 1.00 F10 (0.38) F10F2KHKITGB3ITGA2B
Hydrochloric Acid SCHEMBL7476507 0.89 KHK (0.36) F10F2KHKCYP17A1HRH3
SCHEMBL7466178 0.89 KHK (0.43) F10F2KHKITGB3ITGA2B
SCHEMBL7466183 0.89 KHK (0.43) F10F2KHKITGB3ITGA2B
SCHEMBL8561618 0.83 F2 (0.39) F10F2KHKITGB3ITGA2B
SCHEMBL8562349 0.83 F2 (0.39) F10F2KHKCYP17A1HRH3
SCHEMBL8562341 0.83 F2 (0.39) F10F2KHKCYP17A1HRH3
SCHEMBL8561622 0.83 F2 (0.39) F10F2KHKITGB3ITGA2B
Hydrochloric Acid SCHEMBL8567119 0.82 F2 (0.38) F10F2KHKITGB3ITGA2B
Hydrochloric Acid SCHEMBL8560749 0.82 F2 (0.38) F10F2KHKCYP17A1HRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777667-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT Dr. Karl Thomae GmbH (DE) 1997-06-11 EP claimed
WO-1996005194-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT DR. KARL THOMAE GMBH (DE) 1996-02-22 WO claimed
EP-0777667-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT Dr. Karl Thomae GmbH (DE) 1997-06-11 EP disclosed
WO-1996005194-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT DR. KARL THOMAE GMBH (DE) 1996-02-22 WO disclosed